N-(2-cyanoethyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-cyanoethyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-ethanamide Openeye Name: N-(2-cyanoethyl)-2-[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]sulfanyl-acetamide CAS Name: N-(2-cyanoethyl)-2-[[5-(4-methylphenyl)-4-thieno[2,3-d]pyrimidinyl]thio]acetamide IUPAC Name: N-(2-cyanoethyl)-2-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetamide Traditional Name: N-(2-cyanoethyl)-2-[[5-(p-tolyl)thieno[2,3-d]pyrimidin-4-yl]thio]acetamide Formula: C18H16N4OS2 MolecularWeight: 368.47584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=NC=N3)SCC(=O)NCCC#N

InChI

InChI=1S/C18H16N4OS2/c1-12-3-5-13(6-4-12)14-9-24-17-16(14)18(22-11-21-17)25-10-15(23)20-8-2-7-19/h3-6,9,11H,2,8,10H2,1H3,(H,20,23)